(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol

C12H15N3OS — CID 94607488

IUPAC(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
SMILESCc1nc(Cc2ncc([C@H](C)O)c(C)n2)cs1
InChIInChI=1S/C12H15N3OS/c1-7-11(8(2)16)5-13-12(14-7)4-10-6-17-9(3)15-10/h5-6,8,16H,4H2,1-3H3/t8-/m0/s1
InChIKeyOLGLZZSHGPEISO-QMMMGPOBSA-N
MW249.34 g/mol
LogP2.19
Rot. Bonds3

About (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol

(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol (PubChem CID 94607488) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
PubChem CID94607488
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
SMILESCc1nc(Cc2ncc([C@H](C)O)c(C)n2)cs1
InChIInChI=1S/C12H15N3OS/c1-7-11(8(2)16)5-13-12(14-7)4-10-6-17-9(3)15-10/h5-6,8,16H,4H2,1-3H3/t8-/m0/s1
InChIKeyOLGLZZSHGPEISO-QMMMGPOBSA-N
XLogP2.19
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-5-iodopyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66293677
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
2-methyl-N-[[2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-yl]methyl]propan-1-amine
CID 62797615
3-[4,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294046
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63562186
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 55228442
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431529
5-iodo-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66304558
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol (CID 94607488) is (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol is Cc1nc(Cc2ncc([C@H](C)O)c(C)n2)cs1.
What is the InChIKey of (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol?
The InChIKey is OLGLZZSHGPEISO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-11(8(2)16)5-13-12(14-7)4-10-6-17-9(3)15-10/h5-6,8,16H,4H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol?
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol has a molecular weight of 249.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 94607488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).